4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid

C24H20ClN3O3 — CID 90683059

IUPAC4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-2-20-22(28-12-11-19(25)13-21(28)27-20)23(29)26-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)24(30)31/h3-13H,2,14H2,1H3,(H,26,29)(H,30,31)
InChIKeyOQHSVNPVVJLMNI-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.85
Rot. Bonds6

About 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid

4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid (PubChem CID 90683059) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
PubChem CID90683059
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-2-20-22(28-12-11-19(25)13-21(28)27-20)23(29)26-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)24(30)31/h3-13H,2,14H2,1H3,(H,26,29)(H,30,31)
InChIKeyOQHSVNPVVJLMNI-UHFFFAOYSA-N
XLogP4.85
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
The IUPAC name of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid (CID 90683059) is 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
The InChIKey is OQHSVNPVVJLMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-2-20-22(28-12-11-19(25)13-21(28)27-20)23(29)26-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)24(30)31/h3-13H,2,14H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid?
4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid has a molecular weight of 433.90 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid is sourced from PubChem (CID 90683059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).